#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysm s SER 2 N 0.00 -0.20 -0.00 1.61 0.01 -1.26 -5.05 113.70 108.81 2ysm s SER 2 Ca 0.00 0.63 -0.23 0.00 1.31 0.00 0.00 55.95 57.66 2ysm s SER 2 Cb 0.00 0.57 -0.18 0.00 0.21 0.00 0.00 66.02 66.62 2ysm s SER 2 CO 0.00 -0.19 1.27 0.77 0.41 0.00 0.00 173.24 175.50 2ysm h SER 3 N 7.42 0.19 -6.14 2.44 4.64 -2.13 -3.48 113.55 116.50 2ysm h SER 3 Ca -0.34 -0.52 -0.42 0.00 -0.47 0.00 0.00 61.79 60.03 2ysm h SER 3 Cb 1.15 -0.05 0.05 0.00 -0.31 0.00 0.00 62.40 63.24 2ysm h SER 3 CO 0.30 0.67 -0.85 0.61 -0.87 0.00 0.00 176.83 176.70 2ysm n GLY 4 N 0.32 -0.39 2.10 -0.77 0.00 -1.26 -4.91 105.19 100.28 2ysm n GLY 4 Ca -0.08 0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 2ysm n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ysm n SER 5 N -3.01 5.04 -4.55 1.61 3.41 -1.26 -5.01 113.62 109.84 2ysm n SER 5 Ca -0.27 -3.75 -0.38 0.00 -0.26 0.00 0.00 58.87 54.21 2ysm n SER 5 Cb 0.67 -0.39 -0.11 0.00 -0.26 0.00 0.00 64.21 64.11 2ysm n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ysm s SER 6 N -3.49 5.78 0.00 4.04 0.15 -1.26 -5.04 113.70 113.87 2ysm s SER 6 Ca 0.51 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.10 2ysm s SER 6 Cb 0.41 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 2ysm s SER 6 CO 0.00 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.01 2ysm n GLY 7 N 5.00 0.90 2.19 9.45 0.00 -1.26 -4.99 105.19 116.49 2ysm n GLY 7 Ca -0.15 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 2ysm n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ysm n ALA 8 N -0.03 -0.22 -0.50 4.61 0.00 -1.26 -5.00 120.51 118.12 2ysm n ALA 8 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.24 2ysm n ALA 8 Cb 0.00 -1.19 0.25 0.00 0.00 0.00 0.00 19.45 18.51 2ysm n ALA 8 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ysm n ASN 9 N 0.41 -2.10 -4.67 0.00 4.13 -1.26 -3.26 115.26 108.52 2ysm n ASN 9 Ca -0.10 -0.22 -0.46 0.00 1.68 0.00 0.00 54.58 55.48 2ysm n ASN 9 Cb 0.49 -1.17 -0.04 0.00 -1.54 0.00 0.00 39.78 37.51 2ysm n ASN 9 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ysm n ALA 11 N 3.62 2.53 -0.06 0.00 0.00 -1.19 -0.75 120.51 124.67 2ysm n ALA 11 Ca 0.17 -0.32 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 2ysm n ALA 11 Cb 0.28 -1.12 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 2ysm n ALA 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ysm n VAL 12 N -0.13 0.63 -0.06 0.00 0.31 -1.26 -4.80 118.33 113.01 2ysm n VAL 12 Ca 0.12 -0.17 -0.03 0.00 -0.01 0.00 0.00 64.34 64.24 2ysm n VAL 12 Cb 0.19 -1.51 -0.13 0.00 -0.91 0.00 0.00 33.84 31.47 2ysm n VAL 12 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ysm n ASP 14 N -2.48 -2.38 -3.92 0.00 2.03 0.07 -5.01 116.55 104.86 2ysm n ASP 14 Ca -0.20 -0.18 -0.10 0.00 0.52 0.00 0.00 54.79 54.82 2ysm n ASP 14 Cb 0.88 -1.90 -0.12 0.00 -0.72 0.00 0.00 41.12 39.26 2ysm n ASP 14 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2ysm s SER 15 N -3.33 0.11 0.11 1.67 0.15 -1.26 -4.83 113.70 106.32 2ysm s SER 15 Ca 0.05 -0.25 -0.14 0.00 0.70 0.00 0.00 55.95 56.32 2ysm s SER 15 Cb -0.02 0.09 -0.07 0.00 -1.71 0.00 0.00 66.02 64.31 2ysm s SER 15 CO 0.22 -0.19 1.44 1.55 1.20 0.00 0.00 173.24 177.46 2ysm h PRO 16 N 5.19 0.78 0.00 5.44 0.13 -1.96 -3.12 132.00 138.46 2ysm h PRO 16 Ca -0.29 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 2ysm h PRO 16 Cb 1.21 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2ysm h PRO 16 CO 0.44 1.04 0.00 0.41 -0.23 0.00 0.00 178.00 179.66 2ysm n GLY 17 N 0.16 1.73 3.75 1.56 0.00 -1.26 -4.16 105.19 106.97 2ysm n GLY 17 Ca -0.03 0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 2ysm n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ysm s ASP 18 N -2.72 6.48 -0.15 1.61 1.11 -1.26 -5.00 116.67 116.74 2ysm s ASP 18 Ca 0.00 0.56 -0.26 0.00 0.18 0.00 0.00 52.55 53.03 2ysm s ASP 18 Cb 0.00 -2.19 -0.23 0.00 1.07 0.00 0.00 42.92 41.57 2ysm s ASP 18 CO 0.00 0.13 0.61 -0.07 1.18 0.00 0.00 175.17 177.02 2ysm h LEU 19 N 6.41 0.00 -0.63 1.23 -0.00 -1.89 -3.18 115.31 117.25 2ysm h LEU 19 Ca -0.43 -0.84 -0.01 0.00 -0.00 0.00 0.00 57.88 56.60 2ysm h LEU 19 Cb 1.17 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.80 2ysm h LEU 19 CO 0.73 1.05 0.35 -0.07 -0.00 0.00 0.00 178.44 180.51 2ysm h LEU 20 N -1.00 0.78 -0.31 1.67 -0.00 -1.96 -2.86 115.31 111.63 2ysm h LEU 20 Ca -0.06 -0.09 0.05 0.00 -0.00 0.00 0.00 57.88 57.79 2ysm h LEU 20 Cb 0.98 -0.20 -0.05 0.00 -0.00 0.00 0.00 40.66 41.40 2ysm h LEU 20 CO -0.04 0.64 0.01 0.44 -0.00 0.00 0.00 178.44 179.49 2ysm h ASP 21 N 0.85 -0.11 -3.86 -0.43 5.19 -1.99 -3.42 116.42 112.66 2ysm h ASP 21 Ca 0.22 0.07 -0.47 0.00 -0.62 0.00 0.00 57.03 56.23 2ysm h ASP 21 Cb 0.03 0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 2ysm h ASP 21 CO -0.04 -0.02 0.22 0.00 -3.12 0.00 0.00 179.24 176.29 2ysm s GLN 22 N -6.18 4.19 0.72 3.56 -2.07 -1.08 -4.43 119.66 114.37 2ysm s GLN 22 Ca -0.13 0.95 -0.11 0.00 -1.82 0.00 0.00 55.36 54.24 2ysm s GLN 22 Cb 0.12 -2.43 0.02 0.00 -1.09 0.00 0.00 33.01 29.63 2ysm s GLN 22 CO 0.70 0.13 1.10 -0.06 -1.32 0.00 0.00 175.29 175.84 2ysm s PHE 23 N -1.96 3.22 -0.14 9.60 0.40 -0.96 -4.80 117.98 123.34 2ysm s PHE 23 Ca 0.55 1.07 -0.01 0.00 -0.60 0.00 0.00 56.93 57.94 2ysm s PHE 23 Cb -0.12 -3.08 0.04 0.00 0.51 0.00 0.00 43.02 40.37 2ysm s PHE 23 CO 0.17 -1.30 -0.03 0.12 0.70 0.00 0.00 175.22 174.88 2ysm s PHE 24 N -3.32 1.36 0.76 0.36 5.36 -1.26 -2.60 117.98 118.63 2ysm s PHE 24 Ca 0.59 -0.81 -0.13 0.00 -0.96 0.00 0.00 56.93 55.62 2ysm s PHE 24 Cb -0.12 -1.16 0.05 0.00 -0.34 0.00 0.00 43.02 41.46 2ysm s PHE 24 CO 0.52 -0.54 1.14 0.00 -1.46 0.00 0.00 175.22 174.88 2ysm n THR 26 N -3.13 1.19 0.14 0.00 -2.24 -1.26 -3.45 114.28 105.53 2ysm n THR 26 Ca 0.11 -0.61 -0.06 0.00 -2.27 0.00 0.00 64.05 61.23 2ysm n THR 26 Cb 0.52 -0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 67.85 2ysm n THR 26 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2ysm h THR 27 N 0.00 0.00 0.16 4.28 2.02 -1.94 -3.38 112.91 114.06 2ysm h THR 27 Ca -0.47 -0.20 -0.29 0.00 0.77 0.00 0.00 66.41 66.22 2ysm h THR 27 Cb 1.91 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 68.33 2ysm h THR 27 CO -0.02 0.00 -1.40 0.00 0.37 0.00 0.00 175.52 174.47 2ysm n GLY 29 N 1.76 1.16 3.97 0.00 0.00 -1.22 -5.05 105.19 105.79 2ysm n GLY 29 Ca -0.21 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 2ysm n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ysm s GLN 30 N -1.64 2.75 0.11 1.61 -1.52 -1.26 -4.77 119.66 114.93 2ysm s GLN 30 Ca 0.00 -1.32 0.08 0.00 -1.95 0.00 0.00 55.36 52.17 2ysm s GLN 30 Cb 0.00 -2.65 -0.04 0.00 -0.22 0.00 0.00 33.01 30.11 2ysm s GLN 30 CO 0.00 -0.24 -0.19 -1.01 -0.25 0.00 0.00 175.29 173.59 2ysm s HIS 31 N -2.38 1.73 -0.19 0.91 3.76 -1.20 -0.66 115.29 117.25 2ysm s HIS 31 Ca 0.53 -0.44 -0.07 0.00 -0.15 0.00 0.00 55.06 54.93 2ysm s HIS 31 Cb -0.08 -0.93 0.09 0.00 1.11 0.00 0.00 32.58 32.77 2ysm s HIS 31 CO 0.31 0.21 0.41 0.71 -0.85 0.00 0.00 174.74 175.54 2ysm s TYR 32 N -1.38 -0.75 0.69 1.40 1.51 -1.07 -3.13 117.35 114.61 2ysm s TYR 32 Ca 0.07 1.47 -0.16 0.00 -1.01 0.00 0.00 57.07 57.44 2ysm s TYR 32 Cb -0.09 0.28 0.02 0.00 -0.11 0.00 0.00 41.96 42.06 2ysm s TYR 32 CO 0.04 -0.46 1.22 -1.01 -1.11 0.00 0.00 175.55 174.24 2ysm s HIS 33 N 2.43 2.13 0.48 2.71 3.76 -1.26 -2.27 115.29 123.27 2ysm s HIS 33 Ca -0.03 1.56 0.16 0.00 -0.15 0.00 0.00 55.06 56.60 2ysm s HIS 33 Cb -0.11 -3.51 1.14 0.00 1.11 0.00 0.00 32.58 31.21 2ysm s HIS 33 CO -0.13 -2.58 2.06 0.78 -0.85 0.00 0.00 174.74 174.03 2ysm h GLY 34 N 0.09 0.00 1.05 -2.22 0.00 -1.83 -2.42 103.07 97.73 2ysm h GLY 34 Ca -0.49 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.50 2ysm h GLY 34 CO 0.51 0.00 -1.60 -0.33 0.00 0.00 0.00 176.54 175.12 2ysm h MET 35 N 0.00 0.46 -0.97 4.80 2.86 -1.91 1.00 114.93 121.18 2ysm h MET 35 Ca -0.00 -0.78 0.07 0.00 -2.06 0.00 0.00 59.70 56.93 2ysm h MET 35 Cb 0.20 0.29 -0.07 0.00 0.06 0.00 0.00 31.60 32.08 2ysm h MET 35 CO 0.01 1.37 0.63 0.00 1.06 0.00 0.00 176.91 179.98 2ysm n LEU 37 N -4.51 2.83 -3.73 0.00 4.77 -0.94 -4.97 117.00 110.45 2ysm n LEU 37 Ca 0.15 -1.12 -0.27 0.00 -0.03 0.00 0.00 56.01 54.74 2ysm n LEU 37 Cb 0.22 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 2ysm n LEU 37 CO 0.32 0.52 0.17 0.47 -1.33 0.00 0.00 177.39 177.54 2ysm n ASP 38 N 1.18 -5.66 -4.90 -1.43 9.92 -0.23 -4.98 116.55 110.45 2ysm n ASP 38 Ca 0.13 -0.64 -0.33 0.00 -0.53 0.00 0.00 54.79 53.42 2ysm n ASP 38 Cb 0.52 -4.48 -0.05 0.00 -0.64 0.00 0.00 41.12 36.47 2ysm n ASP 38 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2ysm s ILE 39 N -3.30 5.36 -0.45 0.53 1.01 0.33 -4.98 121.20 119.71 2ysm s ILE 39 Ca 0.62 -0.25 -0.20 0.00 0.00 0.00 0.00 60.65 60.82 2ysm s ILE 39 Cb -0.29 -3.53 0.03 0.00 0.01 0.00 0.00 42.46 38.67 2ysm s ILE 39 CO 0.76 0.27 0.61 0.00 0.00 0.00 0.00 174.94 176.58 2ysm s ALA 40 N -1.37 3.36 -0.06 9.38 0.00 -1.26 -4.57 121.76 127.25 2ysm s ALA 40 Ca 0.29 -1.34 -0.34 0.00 0.00 0.00 0.00 51.96 50.58 2ysm s ALA 40 Cb -0.13 -3.27 -0.11 0.00 0.00 0.00 0.00 23.12 19.61 2ysm s ALA 40 CO 0.21 -1.79 1.88 0.28 0.00 0.00 0.00 175.76 176.33 2ysm n VAL 41 N 5.75 0.57 -4.21 0.00 0.31 -1.26 -4.97 118.33 114.53 2ysm n VAL 41 Ca -0.03 -0.10 -0.16 0.00 -0.01 0.00 0.00 64.34 64.04 2ysm n VAL 41 Cb 0.47 -1.92 -0.11 0.00 -0.91 0.00 0.00 33.84 31.38 2ysm n VAL 41 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2ysm s THR 42 N 3.95 1.11 -1.50 2.52 -4.23 -1.26 -5.02 115.64 111.21 2ysm s THR 42 Ca 0.91 -1.69 0.15 0.00 -1.18 0.00 0.00 61.69 59.89 2ysm s THR 42 Cb -0.66 -1.45 0.28 0.00 1.34 0.00 0.00 72.50 72.01 2ysm s THR 42 CO 0.50 -0.50 1.40 -0.81 -0.54 0.00 0.00 174.62 174.66 2ysm n PRO 43 N 0.52 0.24 -0.10 3.99 -0.04 -1.26 -2.80 135.00 135.55 2ysm n PRO 43 Ca -0.16 0.13 -0.16 0.00 -0.04 0.00 0.00 63.50 63.27 2ysm n PRO 43 Cb 0.57 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 2ysm n PRO 43 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2ysm n LEU 44 N -1.25 2.47 -0.04 1.53 7.94 -1.26 -4.57 117.00 121.83 2ysm n LEU 44 Ca 0.08 0.02 -0.09 0.00 -1.11 0.00 0.00 56.01 54.90 2ysm n LEU 44 Cb 0.11 -0.65 -0.03 0.00 0.53 0.00 0.00 43.42 43.38 2ysm n LEU 44 CO 0.11 0.69 0.89 0.11 -1.11 0.00 0.00 177.39 178.08 2ysm h LYS 45 N -0.25 0.11 -0.97 1.96 1.57 -1.70 -2.92 116.57 114.38 2ysm h LYS 45 Ca -0.46 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.43 2ysm h LYS 45 Cb 1.60 -0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.74 2ysm h LYS 45 CO -0.15 0.08 -0.48 0.00 -0.57 0.00 0.00 179.45 178.33 2ysm h ARG 46 N 0.12 -0.01 -6.23 3.15 3.08 -1.78 -2.99 114.38 109.71 2ysm h ARG 46 Ca 0.08 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.57 2ysm h ARG 46 Cb 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 2ysm h ARG 46 CO -0.11 -0.01 0.94 0.00 -1.07 0.00 0.00 179.97 179.72 2ysm s ALA 47 N -5.76 3.53 -0.27 0.04 0.00 -1.10 -3.23 121.76 114.97 2ysm s ALA 47 Ca -0.13 0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 2ysm s ALA 47 Cb 0.16 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2ysm s ALA 47 CO 0.67 -1.44 0.17 0.41 0.00 0.00 0.00 175.76 175.58 2ysm n GLY 48 N 3.93 0.57 3.78 0.00 0.00 -1.26 -4.94 105.19 107.27 2ysm n GLY 48 Ca 0.14 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 2ysm n GLY 48 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2ysm s TRP 49 N -2.87 3.80 -0.05 1.61 -0.00 -1.13 -5.03 118.94 115.27 2ysm s TRP 49 Ca 0.09 1.75 -0.00 0.00 -0.00 0.00 0.00 56.10 57.93 2ysm s TRP 49 Cb -0.04 -2.88 0.03 0.00 -0.00 0.00 0.00 33.47 30.58 2ysm s TRP 49 CO 0.11 0.34 -0.01 -0.65 -0.00 0.00 0.00 176.95 176.74 2ysm s GLN 50 N -1.67 0.54 0.79 5.86 -0.21 -1.26 -4.20 119.66 119.50 2ysm s GLN 50 Ca 0.45 0.06 -0.14 0.00 0.02 0.00 0.00 55.36 55.75 2ysm s GLN 50 Cb -0.21 -0.78 0.07 0.00 1.00 0.00 0.00 33.01 33.09 2ysm s GLN 50 CO 0.26 -0.20 1.21 0.00 -2.12 0.00 0.00 175.29 174.44 2ysm n PRO 52 N -3.12 0.42 -0.02 0.00 -0.04 -1.26 -0.42 135.00 130.55 2ysm n PRO 52 Ca 0.14 0.04 0.02 0.00 -0.04 0.00 0.00 63.50 63.66 2ysm n PRO 52 Cb 0.50 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.33 2ysm n PRO 52 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ysm n GLU 53 N -1.08 0.65 -0.07 0.54 -0.58 -1.26 -4.52 120.64 114.33 2ysm n GLU 53 Ca 0.10 -0.02 -0.08 0.00 -0.42 0.00 0.00 57.16 56.74 2ysm n GLU 53 Cb 0.07 -1.61 -0.08 0.00 -0.57 0.00 0.00 31.44 29.25 2ysm n GLU 53 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ysm n LYS 55 N -2.72 1.09 -4.43 0.00 4.81 0.43 -4.97 118.16 112.37 2ysm n LYS 55 Ca -0.24 0.39 -0.22 0.00 -0.87 0.00 0.00 58.31 57.38 2ysm n LYS 55 Cb 0.84 -1.96 -0.09 0.00 0.02 0.00 0.00 35.03 33.83 2ysm n LYS 55 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2ysm s VAL 56 N 0.15 0.75 -0.35 3.15 -7.23 -1.26 -4.95 120.40 110.67 2ysm s VAL 56 Ca 0.80 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.68 2ysm s VAL 56 Cb -0.92 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 33.45 2ysm s VAL 56 CO 0.50 0.00 1.38 0.00 -0.31 0.00 0.00 175.10 176.67 2ysm n GLN 58 N 7.72 0.61 -0.12 0.00 1.13 -1.25 0.21 117.38 125.67 2ysm n GLN 58 Ca 0.16 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.95 2ysm n GLN 58 Cb 0.47 -1.44 -0.11 0.00 0.11 0.00 0.00 30.24 29.27 2ysm n GLN 58 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2ysm n ASN 59 N -0.94 1.93 -0.01 1.08 4.13 -1.26 -4.71 115.26 115.47 2ysm n ASN 59 Ca 0.13 0.36 0.03 0.00 1.68 0.00 0.00 54.58 56.77 2ysm n ASN 59 Cb 0.06 -0.86 -0.06 0.00 -1.54 0.00 0.00 39.78 37.37 2ysm n ASN 59 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ysm n LYS 61 N -1.86 -3.84 -3.62 0.00 4.01 0.56 -5.01 118.16 108.41 2ysm n LYS 61 Ca -0.03 0.73 -0.26 0.00 -0.51 0.00 0.00 58.31 58.24 2ysm n LYS 61 Cb 0.29 -5.29 -0.17 0.00 -0.51 0.00 0.00 35.03 29.36 2ysm n LYS 61 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2ysm s GLN 62 N -4.69 0.10 -0.24 1.97 -1.52 -1.26 -4.90 119.66 109.12 2ysm s GLN 62 Ca 0.19 -0.11 -0.26 0.00 -1.95 0.00 0.00 55.36 53.23 2ysm s GLN 62 Cb -0.02 -1.83 -0.00 0.00 -0.22 0.00 0.00 33.01 30.94 2ysm s GLN 62 CO 0.63 -0.68 0.89 -1.54 -0.25 0.00 0.00 175.29 174.33 2ysm s SER 63 N 2.12 6.90 0.00 5.90 1.04 -1.26 -4.51 113.70 123.89 2ysm s SER 63 Ca 0.02 1.12 0.00 0.00 0.48 0.00 0.00 55.95 57.57 2ysm s SER 63 Cb -0.16 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2ysm s SER 63 CO -0.10 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.17 2ysm n GLY 64 N 3.65 -0.91 2.00 7.32 0.00 -1.26 -4.99 105.19 111.00 2ysm n GLY 64 Ca 0.07 0.33 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 2ysm n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ysm n GLU 65 N 0.00 1.81 -0.21 1.61 -0.58 -1.26 -4.59 120.64 117.42 2ysm n GLU 65 Ca 0.00 -0.88 0.02 0.00 -0.42 0.00 0.00 57.16 55.88 2ysm n GLU 65 Cb 0.00 -1.91 0.11 0.00 -0.57 0.00 0.00 31.44 29.07 2ysm n GLU 65 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2ysm h ASP 66 N 3.08 -0.21 -0.32 1.62 3.58 -1.94 -1.70 116.42 120.53 2ysm h ASP 66 Ca 0.17 0.15 0.07 0.00 0.42 0.00 0.00 57.03 57.83 2ysm h ASP 66 Cb 1.39 0.25 -0.08 0.00 1.72 0.00 0.00 39.33 42.61 2ysm h ASP 66 CO 0.23 -0.09 -0.34 0.28 -2.88 0.00 0.00 179.24 176.44 2ysm h SER 67 N 0.15 -1.10 -0.20 2.28 0.02 -2.04 0.07 113.55 112.73 2ysm h SER 67 Ca 0.34 0.18 -0.14 0.00 -0.84 0.00 0.00 61.79 61.32 2ysm h SER 67 Cb 0.55 0.50 -0.06 0.00 0.14 0.00 0.00 62.40 63.52 2ysm h SER 67 CO -0.52 -0.34 0.11 0.29 -1.14 0.00 0.00 176.83 175.24 2ysm n LYS 68 N -5.41 1.42 -3.99 3.45 5.02 -0.65 -4.76 118.16 113.23 2ysm n LYS 68 Ca -0.00 -0.70 -0.31 0.00 -2.02 0.00 0.00 58.31 55.28 2ysm n LYS 68 Cb 0.34 -1.35 -0.16 0.00 -0.02 0.00 0.00 35.03 33.84 2ysm n LYS 68 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2ysm s MET 69 N -0.55 1.92 0.16 1.97 1.75 0.01 -1.93 119.30 122.63 2ysm s MET 69 Ca 0.19 -0.96 -0.30 0.00 -1.25 0.00 0.00 55.69 53.37 2ysm s MET 69 Cb 0.13 -2.54 -0.07 0.00 2.84 0.00 0.00 34.83 35.19 2ysm s MET 69 CO -0.01 -0.51 0.96 -0.51 -0.65 0.00 0.00 175.02 174.30 2ysm s LEU 70 N 1.35 4.55 -0.27 4.11 1.43 0.14 -4.78 118.68 125.21 2ysm s LEU 70 Ca -0.04 1.86 0.02 0.00 -1.03 0.00 0.00 54.13 54.94 2ysm s LEU 70 Cb -0.18 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.50 2ysm s LEU 70 CO -0.07 0.00 -0.08 -0.69 0.23 0.00 0.00 176.35 175.75 2ysm s VAL 71 N -0.42 2.42 0.99 -1.59 1.01 -1.26 -0.85 120.40 120.69 2ysm s VAL 71 Ca 0.45 -1.56 -0.15 0.00 0.00 0.00 0.00 61.98 60.73 2ysm s VAL 71 Cb -0.25 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.75 2ysm s VAL 71 CO 0.31 -0.05 0.15 0.00 0.00 0.00 0.00 175.10 175.51 2ysm n ASP 73 N -0.71 1.98 0.00 0.00 8.00 -1.20 -3.92 116.55 120.70 2ysm n ASP 73 Ca 0.04 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 54.06 2ysm n ASP 73 Cb 0.56 0.40 0.00 0.00 -0.02 0.00 0.00 41.12 42.06 2ysm n ASP 73 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2ysm n THR 74 N 0.13 0.00 0.09 -3.53 -1.04 -1.26 -4.79 114.28 103.88 2ysm n THR 74 Ca 0.09 0.15 -0.02 0.00 -2.04 0.00 0.00 64.05 62.23 2ysm n THR 74 Cb 0.42 -1.10 0.24 0.00 -1.82 0.00 0.00 70.33 68.07 2ysm n THR 74 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ysm n ASP 76 N -4.06 -2.56 -4.65 0.00 2.03 -1.25 -4.76 116.55 101.31 2ysm n ASP 76 Ca -0.01 -0.23 -0.34 0.00 0.52 0.00 0.00 54.79 54.72 2ysm n ASP 76 Cb 0.45 -2.31 -0.10 0.00 -0.72 0.00 0.00 41.12 38.45 2ysm n ASP 76 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2ysm s LYS 77 N -4.85 2.86 -0.02 -0.67 -0.14 -1.26 -4.81 119.74 110.85 2ysm s LYS 77 Ca 0.07 -0.50 -0.23 0.00 -1.36 0.00 0.00 55.97 53.96 2ysm s LYS 77 Cb -0.03 -2.70 -0.05 0.00 -1.68 0.00 0.00 37.83 33.37 2ysm s LYS 77 CO 0.29 0.67 0.67 0.20 -0.76 0.00 0.00 175.35 176.42 2ysm s GLY 78 N -1.01 2.65 -0.12 -3.33 0.00 -1.26 -2.89 107.32 101.36 2ysm s GLY 78 Ca 0.14 0.13 -0.05 0.00 0.00 0.00 0.00 44.72 44.94 2ysm s GLY 78 CO 0.04 1.00 0.24 -0.19 0.00 0.00 0.00 173.10 174.19 2ysm s TYR 79 N 0.23 -0.37 0.24 1.90 2.02 -0.03 -3.84 117.35 117.49 2ysm s TYR 79 Ca 0.35 0.89 -0.30 0.00 -0.37 0.00 0.00 57.07 57.64 2ysm s TYR 79 Cb -0.19 -0.05 -0.09 0.00 -0.40 0.00 0.00 41.96 41.23 2ysm s TYR 79 CO 0.19 -0.32 1.34 -1.01 -1.57 0.00 0.00 175.55 174.18 2ysm s HIS 80 N 2.17 3.17 0.28 2.71 3.76 -1.26 0.23 115.29 126.35 2ysm s HIS 80 Ca -0.01 1.20 0.00 0.00 -0.15 0.00 0.00 55.06 56.11 2ysm s HIS 80 Cb -0.12 -3.67 0.64 0.00 1.11 0.00 0.00 32.58 30.55 2ysm s HIS 80 CO -0.08 -2.07 1.67 1.79 -0.85 0.00 0.00 174.74 175.19 2ysm h THR 81 N 3.56 0.40 0.00 1.30 1.35 -1.69 1.00 112.91 118.83 2ysm h THR 81 Ca -0.46 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 65.30 2ysm h THR 81 Cb 1.22 0.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2ysm h THR 81 CO 0.75 0.05 -0.05 2.19 -0.25 0.00 0.00 175.52 178.21 2ysm h PHE 82 N 0.27 0.00 -0.66 4.73 -0.00 -1.83 -0.03 116.94 119.41 2ysm h PHE 82 Ca 0.52 0.00 -0.25 0.00 -0.00 0.00 0.00 57.97 58.24 2ysm h PHE 82 Cb 0.99 0.00 -0.15 0.00 -0.00 0.00 0.00 35.95 36.79 2ysm h PHE 82 CO -0.24 0.05 0.31 0.00 -0.00 0.00 0.00 178.31 178.44 2ysm s LEU 84 N -2.43 3.02 -0.30 0.00 1.43 -0.97 -4.67 118.68 114.75 2ysm s LEU 84 Ca 0.44 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 2ysm s LEU 84 Cb 0.36 -1.78 0.08 0.00 0.03 0.00 0.00 46.19 44.88 2ysm s LEU 84 CO 0.10 0.23 0.01 -1.58 0.23 0.00 0.00 176.35 175.34 2ysm s GLN 85 N -1.82 1.48 1.25 1.70 2.00 -1.26 -0.54 119.66 122.47 2ysm s GLN 85 Ca 0.19 -1.42 -0.21 0.00 -2.00 0.00 0.00 55.36 51.92 2ysm s GLN 85 Cb -0.11 -2.77 0.31 0.00 0.80 0.00 0.00 33.01 31.24 2ysm s GLN 85 CO 0.10 -0.81 1.11 -1.25 -0.50 0.00 0.00 175.29 173.95 2ysm s PRO 86 N 1.19 -1.61 0.36 1.67 0.04 -1.26 -5.02 135.00 130.37 2ysm s PRO 86 Ca 0.04 -0.20 -0.18 0.00 0.04 0.00 0.00 61.00 60.70 2ysm s PRO 86 Cb -0.19 -1.56 -0.10 0.00 0.04 0.00 0.00 34.50 32.69 2ysm s PRO 86 CO -0.10 -3.94 0.82 0.08 0.04 0.00 0.00 177.00 173.90 2ysm s VAL 87 N -3.01 4.55 -1.14 -0.36 1.01 0.30 -5.00 120.40 116.76 2ysm s VAL 87 Ca 0.72 1.19 -0.09 0.00 0.00 0.00 0.00 61.98 63.80 2ysm s VAL 87 Cb -0.07 -3.62 0.26 0.00 0.00 0.00 0.00 36.38 32.95 2ysm s VAL 87 CO 0.56 -0.22 1.25 0.23 0.00 0.00 0.00 175.10 176.91 2ysm n MET 88 N -0.43 3.64 -0.29 2.72 2.81 -0.05 -4.88 117.12 120.64 2ysm n MET 88 Ca 0.05 -4.34 0.27 0.00 -1.81 0.00 0.00 57.70 51.87 2ysm n MET 88 Cb 0.53 -2.64 0.48 0.00 -0.71 0.00 0.00 33.22 30.88 2ysm n MET 88 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2ysm n LYS 89 N 3.04 -0.04 -4.42 0.03 4.76 -1.26 -4.46 118.16 115.81 2ysm n LYS 89 Ca 0.27 1.01 -0.22 0.00 -2.87 0.00 0.00 58.31 56.50 2ysm n LYS 89 Cb 0.39 -1.89 -0.09 0.00 -1.84 0.00 0.00 35.03 31.60 2ysm n LYS 89 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2ysm s SER 90 N -4.52 2.16 -0.14 4.39 0.01 -1.26 -5.06 113.70 109.28 2ysm s SER 90 Ca -0.06 -1.61 -0.04 0.00 1.31 0.00 0.00 55.95 55.55 2ysm s SER 90 Cb 0.25 0.41 -0.03 0.00 0.21 0.00 0.00 66.02 66.86 2ysm s SER 90 CO 0.61 -0.90 0.01 -0.69 0.41 0.00 0.00 173.24 172.68 2ysm s VAL 91 N -3.39 4.34 0.77 3.43 1.01 -1.26 -5.04 120.40 120.26 2ysm s VAL 91 Ca 0.31 -0.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.97 2ysm s VAL 91 Cb 0.04 -2.89 0.06 0.00 0.00 0.00 0.00 36.38 33.59 2ysm s VAL 91 CO 0.17 0.53 1.09 -2.16 0.00 0.00 0.00 175.10 174.73 2ysm s PRO 92 N -0.11 2.24 0.01 2.72 0.04 -1.26 -5.01 135.00 133.63 2ysm s PRO 92 Ca 0.04 1.17 -0.16 0.00 0.04 0.00 0.00 61.00 62.09 2ysm s PRO 92 Cb -0.13 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 2ysm s PRO 92 CO 0.02 -1.66 0.95 1.15 0.04 0.00 0.00 177.00 177.50 2ysm h THR 93 N -1.14 0.00 -2.44 1.26 2.02 -2.06 -3.48 112.91 107.07 2ysm h THR 93 Ca -0.44 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.51 2ysm h THR 93 Cb 1.23 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.47 2ysm h THR 93 CO 0.51 0.00 0.10 0.21 0.37 0.00 0.00 175.52 176.72 2ysm s ASN 94 N -3.58 -0.54 0.00 4.18 2.47 -1.26 -5.04 114.94 111.16 2ysm s ASN 94 Ca -0.08 0.42 0.00 0.00 0.42 0.00 0.00 52.86 53.61 2ysm s ASN 94 Cb 0.01 0.51 0.00 0.00 -1.45 0.00 0.00 41.25 40.32 2ysm s ASN 94 CO 0.25 -0.67 0.00 0.61 -3.72 0.00 0.00 177.10 173.58 2ysm n GLY 95 N 0.65 -0.38 3.61 1.21 0.00 -1.26 -5.09 105.19 103.93 2ysm n GLY 95 Ca -0.19 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 2ysm n GLY 95 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2ysm s TRP 96 N -2.44 2.81 0.04 1.61 -0.00 -1.26 -5.09 118.94 114.61 2ysm s TRP 96 Ca 0.00 -0.12 0.02 0.00 -0.00 0.00 0.00 56.10 56.00 2ysm s TRP 96 Cb 0.00 -1.45 -0.02 0.00 -0.00 0.00 0.00 33.47 31.99 2ysm s TRP 96 CO 0.00 0.45 -0.07 0.21 -0.00 0.00 0.00 176.95 177.54 2ysm s LYS 97 N -2.30 0.52 0.57 5.86 2.20 -1.26 -3.23 119.74 122.09 2ysm s LYS 97 Ca 0.23 -0.76 0.05 0.00 -0.36 0.00 0.00 55.97 55.13 2ysm s LYS 97 Cb -0.11 -0.26 0.07 0.00 -1.51 0.00 0.00 37.83 36.01 2ysm s LYS 97 CO 0.15 0.04 0.78 0.00 -0.36 0.00 0.00 175.35 175.97 2ysm h LYS 99 N 0.10 0.51 0.00 0.00 3.11 -1.98 -0.47 116.57 117.84 2ysm h LYS 99 Ca -0.37 -0.41 -0.01 0.00 -2.81 0.00 0.00 60.65 57.05 2ysm h LYS 99 Cb 1.28 0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 32.60 2ysm h LYS 99 CO 0.44 1.04 -0.04 -0.91 -2.81 0.00 0.00 179.45 177.18 2ysm h ASN 100 N 0.35 0.00 0.00 4.20 2.35 -1.99 -2.94 115.58 117.55 2ysm h ASN 100 Ca -0.03 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.59 2ysm h ASN 100 Cb 1.32 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.67 2ysm h ASN 100 CO 0.13 0.04 -1.16 0.00 -1.65 0.00 0.00 177.43 174.79 2ysm h ARG 102 N -1.00 0.00 -5.57 0.00 -0.00 -1.12 -3.42 114.38 103.28 2ysm h ARG 102 Ca -0.19 0.00 -0.75 0.00 -0.00 0.00 0.00 59.98 59.04 2ysm h ARG 102 Cb 1.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.95 2ysm h ARG 102 CO -0.12 0.00 1.03 -0.89 -0.00 0.00 0.00 179.97 179.99 2ysm n ILE 103 N -2.87 0.00 -1.37 0.08 2.08 -1.11 -4.88 119.36 111.29 2ysm n ILE 103 Ca 0.04 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 63.06 2ysm n ILE 103 Cb 0.85 -0.46 0.14 0.00 -0.75 0.00 0.00 39.64 39.42 2ysm n ILE 103 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ysm s ILE 105 N -3.10 3.80 -0.05 0.00 1.01 -1.26 -4.95 121.20 116.65 2ysm s ILE 105 Ca 0.64 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.91 2ysm s ILE 105 Cb -0.16 -4.88 0.02 0.00 0.01 0.00 0.00 42.46 37.45 2ysm s ILE 105 CO 0.55 -1.78 -0.05 -0.94 0.00 0.00 0.00 174.94 172.72 2ysm s SER 106 N 5.08 1.06 0.00 3.58 1.04 -1.26 -5.11 113.70 118.09 2ysm s SER 106 Ca 0.46 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.75 2ysm s SER 106 Cb -0.03 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.60 2ysm s SER 106 CO -0.02 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.77 2ysm n GLY 107 N 4.06 2.91 3.56 7.32 0.00 -1.26 -4.98 105.19 116.80 2ysm n GLY 107 Ca -0.24 -1.93 -0.27 0.00 0.00 0.00 0.00 46.02 43.58 2ysm n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ysm s PRO 108 N -2.02 2.54 -0.25 1.61 0.04 -1.26 -4.92 135.00 130.74 2ysm s PRO 108 Ca 0.00 -0.46 -0.28 0.00 0.04 0.00 0.00 61.00 60.29 2ysm s PRO 108 Cb 0.00 -5.10 -0.03 0.00 0.04 0.00 0.00 34.50 29.41 2ysm s PRO 108 CO 0.00 -3.49 1.91 -1.12 0.04 0.00 0.00 177.00 174.33 2ysm s SER 109 N 7.73 5.89 0.49 6.66 0.01 -1.26 -4.97 113.70 128.25 2ysm s SER 109 Ca 0.70 1.64 0.06 0.00 1.31 0.00 0.00 55.95 59.66 2ysm s SER 109 Cb -0.06 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.66 2ysm s SER 109 CO 0.02 -1.66 0.36 -0.94 0.41 0.00 0.00 173.24 171.44 2ysm s SER 110 N 6.30 4.69 0.00 2.44 1.04 -1.26 -5.27 113.70 121.64 2ysm s SER 110 Ca 0.85 -1.11 0.29 0.00 0.48 0.00 0.00 55.95 56.46 2ysm s SER 110 Cb -0.28 0.06 1.24 0.00 0.10 0.00 0.00 66.02 67.14 2ysm s SER 110 CO 0.34 -0.92 1.85 0.61 0.98 0.00 0.00 173.24 176.10